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3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole

3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole

CAS: 118183-92-9

Formula: C9H7BrN2O

SMILES: CC1=NC(=NO1)C1=CC=C(Br)C=C1

IUPAC: 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole

InChI: InChI=1S/C9H7BrN2O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,1H3

Composition: C (45.22%), H (2.95%), Br (33.42%), N (11.72%), O (6.69%)

Molar Mass: 239.072

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.974176
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YWBIOYGLRGIJRT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.15
Topological Polar Surface Area 38.92
Polarizability 20.31
Ring Count 2
Rotatable Bond Count 1

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